Chemical Properties of 1-Butene, 1-ethoxy-3-methyl-, (E) (CAS 16969-18-9)

InChI

InChI=1S/C7H14O/c1-4-8-6-5-7(2)3/h5-7H,4H2,1-3H3/b6-5+

InChI Key

KLKHJTPIDMZMBB-AATRIKPKSA-N

Formula

C7H14O

SMILES

CCOC=CC(C)C

Molecular Weight¹

114.19

CAS

16969-18-9

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[155.06; 368.92]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			6.16100e+00
Coefficient B			6.31560e-01
Coefficient C			-3.33000e-04
Coefficient D			6.42000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	155.06	J/mol×K	273.00	Calculated Property
Cp,gas	190.76	J/mol×K	353.78	Calculated Property
Cp,gas	222.99	J/mol×K	434.56	Calculated Property
Cp,gas	251.98	J/mol×K	515.33	Calculated Property
Cp,gas	277.91	J/mol×K	596.11	Calculated Property
Cp,gas	300.99	J/mol×K	676.89	Calculated Property
Cp,gas	321.43	J/mol×K	757.67	Calculated Property
Cp,gas	339.43	J/mol×K	838.44	Calculated Property
Cp,gas	355.20	J/mol×K	919.22	Calculated Property
Cp,gas	368.92	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0065425; 0.0001671]	Pa×s	[170.80; 394.04]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.15032e+01
Coefficient B			1.10571e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			170.80
Temperature range, max.			394.04
η	0.0065425	Pa×s	170.80	Calculated Property
η	0.0028789	Pa×s	195.60	Calculated Property
η	0.0015239	Pa×s	220.41	Calculated Property
η	0.0009174	Pa×s	245.21	Calculated Property
η	0.0006063	Pa×s	270.02	Calculated Property
η	0.0004296	Pa×s	294.82	Calculated Property
η	0.0003211	Pa×s	319.62	Calculated Property
η	0.0002503	Pa×s	344.43	Calculated Property
η	0.0002017	Pa×s	369.23	Calculated Property
η	0.0001671	Pa×s	394.04	Calculated Property

Similar Compounds

Find more compounds similar to 1-Butene, 1-ethoxy-3-methyl-, (E).

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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